SCHEMBL3345252

SCHEMBL3345252

CC(C)CCN1CCc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
PRMT5 O14744 7/20 0.46
WDR77 Q9BQA1 6/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PAX8 Q06710 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 1/20 0.40
NPY5R Q15761 1/20 0.39
PIK3CA P42336 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1791145 0.85 PRMT5 (0.48) PRMT5WDR77KDM4EALOX15CHRM2
Trifluoroacetic Acid SCHEMBL3345248 0.80 DPP4 (0.48) NAMPTPRMT5WDR77CHRM2HTR1A
SCHEMBL1786439 0.80 MGLL (0.46) PRMT5WDR77NPC1RAB9APAX8
SCHEMBL12607804 0.78 PRMT5 (0.52) NAMPTPRMT5WDR77MEN1KMT2A
SCHEMBL1783581 0.74 NPC1 (0.46) NPC1RAB9APAX8L3MBTL1MEN1
SCHEMBL8209080 0.74 MTTP (0.56) NAMPTKDM4E
SCHEMBL3339557 0.72 NPC1 (0.41) NPC1RAB9APAX8L3MBTL1MEN1
SCHEMBL8230135 0.71 GAA (0.49) L3MBTL1NPY5R
SCHEMBL14131203 0.67 L3MBTL1 (0.56) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6622461 0.67 HDAC1 (0.71) NPC1RAB9APAX8L3MBTL1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 NAMPT 800/4885PRMT5 1975/4885WDR77 974/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 NAMPT 2076/4885PRMT5 3222/4885WDR77 1787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.